Fig. 3. (A) A graph created to illustrate the efficacy of the random forest model by comparing calculated binding energies of all the *O, *OH and *OOH intermediates with predicted binding energies on the test set. The model has an R2 score of 0.83 for the training set and 0.78 for the test set. It also has a median absolute error of 0.16 eV for the training set and 0.21 eV for the test set. (B) A bar graph illustrating the relative importance of all the features used to predict the binding energies of *O, *OH and *OOH. The Bader charge of the adsorbed oxygen was plotted against the (C) binding energy of *O and (D) the difference in energy between O* and *OH, with the colorbar representing the bandcenter of the O2p band of adsorbate oxygen.
